Re: [Jmol-users] set picking rotate bond broken ?

2015-11-12 Thread CheMagic
Paul and Bob, Got it. Part of my confusion here is how archaic my code was - circa 2009: scpt = 'set Picking OFF;set Picking ON;set BondPicking TRUE;set allowRotateSelected TRUE;unbind "LEFT-DRAG";bind "LEFT-DRAG" "quit;if (_X < 250){select WITHIN(BRANCH,{atomno=rot2}, {atomno=rot1})} else {se

Re: [Jmol-users] set picking rotate bond broken ?

2015-11-12 Thread Paul PILLOT
Otis, what Bob means is that the command « set picking rotatebond » by itself is not broken. But it requires a key modifier + mouse drag combination to work. What I did on my webpage (thanks to the code I saw on yours) is to as a bind command as previously explained, so that no key modifier is r

Re: [Jmol-users] set picking rotate bond broken ?

2015-11-12 Thread Otis Rothenberger
Bob, I’m not seeing what your note suggests on Paul’s page. No modifier key is required from what I’m seeing. You give up model translation by doing this, but the point is to make it work on a touch pad. By unbinding default left-click and binding it to bond rotation, only click (or touch) drag

Re: [Jmol-users] set picking rotate bond broken ?

2015-11-12 Thread Robert Hanson
It's working. But how it works is less than obvious. After clicking on a bond such that the two highlighted atoms stay highlighted, move off past the end you want to rotate, press SHIFT, and drag. -- ___

Re: [Jmol-users] rotation matrix calculation

2015-11-12 Thread Robert Hanson
Right - it's the matrix multiplication that is filling the wrong variable with the changed value. I have that fixed but do not have time to release it right now. On Thu, Nov 12, 2015 at 7:57 AM, Angel Herráez wrote: > Hi Bob > > Yes, it's working perfectly. Thanks! > Note: new p1 is different th

Re: [Jmol-users] set picking rotate bond broken ?

2015-11-12 Thread CheMagic
Hey Paul, I really like what your page is doing. I divide my window into two segements, and the rotated group changes depending on which side gets the click-drag. It looks like your screen has three parts, with the middle component rotating both branches. I like that. My code predates the Jmol

Re: [Jmol-users] rotation matrix calculation

2015-11-12 Thread Angel Herráez
Hi Bob Yes, it's working perfectly. Thanks! Note: new p1 is different than old p1 (as you said) but it does not match p11 This is with 14.4.0_2015.10.13 application rotaProt = compare( {*.CA/2.1 & polymer=8} {*.CA/1.1 & polymer=8} ); show rotaProt; // rotaProt = [[-0.7424616,0.2323488,-0.628303

Re: [Jmol-users] set picking rotate bond broken ?

2015-11-12 Thread Paul PILLOT
Thank-you for the pointer. I think we have two different implementations. From what I can guess from your webpage, once the user clicks a bond, the scripts somehow selects one of the group from either side of the bond to allow it to rotate (an « allow rotateselected » flag is set in the console)

Re: [Jmol-users] rotation matrix calculation

2015-11-12 Thread Robert Hanson
A couple of issues there -- 1) Jmol is not set up to allow m4 * pt 2) You should be able to use m3 = m4%1 t = m4%2 pt1 = m3 * pt + t However there is a bug there, as well. No problem if you don't care, but after that operation pt *itself* has been rotated and translated. This is a bug.

Re: [Jmol-users] rotation matrix calculation

2015-11-12 Thread Robert Hanson
Hmm. Jmol is not recognizing a 4x4 array as a matrix. I'll look into that. ​ -- ___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/

Re: [Jmol-users] rotation matrix calculation

2015-11-12 Thread Angel Herráez
Thanks, Bob Aha, the mysteries of matrix multiplication :-D I circumvented my problem creating dummy atoms and applying the rotation to them. But anyway I'd like to do it this way. Still, I cannot make it work rotaProt = compare( {*.CA/2.1 & polymer=8} {*.CA/1.1 & polymer=8} ) show rotaProt